Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.6518   -0.2499    0.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288   -0.2222   -0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    0.0155   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8229    0.0455   -1.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4692    0.2797   -1.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797    0.4877   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5575    0.4547    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9194    0.2209    0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292    0.7345   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395   -0.5404   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799   -0.1899   -0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7059   -0.4877    0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7317   -0.3797    0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834   -1.1167    1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5471    0.7226    1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754   -0.1235   -2.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0975    0.3017   -2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0493    0.6171    1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4999    0.1948    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8954    1.3628    0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9048    1.2052   -1.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2298   -1.2156   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330   -1.0862    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    0.3260   -1.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7494   -0.2151    0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2912   -1.0033    1.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers